N-methylhex-3-ene-3-sulfonamide

C7H15NO2S — CID 174821072

IUPACN-methylhex-3-ene-3-sulfonamide
SMILESCCC=C(CC)S(=O)(=O)NC
InChIInChI=1S/C7H15NO2S/c1-4-6-7(5-2)11(9,10)8-3/h6,8H,4-5H2,1-3H3
InChIKeyKNWFDSOFJAZZJR-UHFFFAOYSA-N
MW177.27 g/mol
LogP1.24
Rot. Bonds4

About N-methylhex-3-ene-3-sulfonamide

N-methylhex-3-ene-3-sulfonamide (PubChem CID 174821072) has the molecular formula C7H15NO2S and a molecular weight of 177.27 g/mol. Its IUPAC name is N-methylhex-3-ene-3-sulfonamide.

Molecular Properties

Compound NameN-methylhex-3-ene-3-sulfonamide
PubChem CID174821072
Molecular FormulaC7H15NO2S
Molecular Weight177.27 g/mol
Exact Mass177.08
IUPAC NameN-methylhex-3-ene-3-sulfonamide
SMILESCCC=C(CC)S(=O)(=O)NC
InChIInChI=1S/C7H15NO2S/c1-4-6-7(5-2)11(9,10)8-3/h6,8H,4-5H2,1-3H3
InChIKeyKNWFDSOFJAZZJR-UHFFFAOYSA-N
XLogP1.24
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methylhex-3-ene-3-sulfonamide?
The IUPAC name of N-methylhex-3-ene-3-sulfonamide (CID 174821072) is N-methylhex-3-ene-3-sulfonamide.
What is the SMILES notation for N-methylhex-3-ene-3-sulfonamide?
The canonical SMILES for N-methylhex-3-ene-3-sulfonamide is CCC=C(CC)S(=O)(=O)NC.
What is the InChIKey of N-methylhex-3-ene-3-sulfonamide?
The InChIKey is KNWFDSOFJAZZJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2S/c1-4-6-7(5-2)11(9,10)8-3/h6,8H,4-5H2,1-3H3.
What are the key properties of N-methylhex-3-ene-3-sulfonamide?
N-methylhex-3-ene-3-sulfonamide has a molecular weight of 177.27 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylhex-3-ene-3-sulfonamide is sourced from PubChem (CID 174821072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).